AG007BMK

36062-93-8 | 1-Naphthalenecarbonitrile,4-methyl-

AG007BMK

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CAS Number	36062-93-8
Catalog Number	AG007BMK(AGN-PC-0JMSDU)
Chemical Name	1-Naphthalenecarbonitrile,4-methyl-
IUPAC Name	4-methylnaphthalene-1-carbonitrile
InChI	InChI=1S/C12H9N/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-7H,1H3
InChI Key	XDIWTJZAYBYKHM-UHFFFAOYSA-N
MDL Number	MFCD00079742
Molecular Formula	C12H9N
Molecular Weight	167.2066
SMILES	CC1=C2C=CC=CC2=C(C#N)C=C1
Synonyms	1-Cyano-4-methylnaphthalene, 36062-93-8, 4-Methyl-1-naphthonitrile, 4-methylnaphthalene-1-carbonitrile, 1-Naphthalenecarbonitrile,4-methyl-, XDIWTJZAYBYKHM-UHFFFAOYSA-N, 4-methylnaphthonitrile, AC1L3KBT, 4-methyl-1-cyanonaphthalene, 4-Methyl-1-naphthonitrile #, SCHEMBL854444, CTK4H5828, DTXSID30189630, ZINC2571855, 1601AE, AB3975, MFCD00079742, AKOS000114325, CS-12870, SY232301, DB-019138, TR-014838, FT-0676149, MFCD00079742 (95%), Z-0073, I14-26384, C12H9N, CID142047, ZINC02571855, ACN-042519,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	167.073g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	167.211g/mol
Monoisotopic Mass	167.073g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number